(Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione

C178H103N15O4S — CID 159251789

About (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione

(Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione (PubChem CID 159251789) has the molecular formula C178H103N15O4S and a molecular weight of 2547.95 g/mol. Its IUPAC name is (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione.

Molecular Properties

• Compound Name: (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione
• PubChem CID: 159251789
• Molecular Formula: C178H103N15O4S
• Molecular Weight: 2547.95 g/mol
• Exact Mass: 2545.80
• IUPAC Name: (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione
• SMILES: O=C1/C(=C\c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)cc2)C(=O)c2sccc21.O=C1C(=Cc2ccc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)cn2)C(=O)c2nccnc21.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc3c4c(cccc24)-c2cc4c(ccc5ccccc54)cc2N3c2ccccc2)cc1.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2N3c2ccccc2)nc1.[C-]#[N+]/C(C#N)=C\c1ccc2cc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)ccc2c1
• InChI: InChI=1S/C40H23N3.C36H21N3.C36H21NO2S.C35H20N4O2.C31H18N4/c1-42-30(25-41)22-26-14-16-28(17-15-26)33-20-21-38-40-34(33)12-7-13-35(40)37-24-36-29(19-18-27-8-5-6-11-32(27)36)23-39(37)43(38)31-9-3-2-4-10-31;1-38-28(23-37)21-24-14-15-26-22-27(17-16-25(26)20-24)30-18-19-35-36-32(30)11-7-12-33(36)31-10-5-6-13-34(31)39(35)29-8-3-2-4-9-29;38-34-29-19-20-40-36(29)35(39)30(34)21-22-13-15-23(16-14-22)25-17-18-32-33-27(25)10-6-11-28(33)26-9-4-5-12-31(26)37(32)24-7-2-1-3-8-24;40-34-28(35(41)33-32(34)36-17-18-37-33)19-22-14-13-21(20-38-22)24-15-16-30-31-26(24)10-6-11-27(31)25-9-4-5-12-29(25)39(30)23-7-2-1-3-8-23;1-33-22(19-32)18-21-14-16-28(34-20-21)24-15-17-30-31-26(24)11-7-12-27(31)25-10-5-6-13-29(25)35(30)23-8-3-2-4-9-23/h2-24H;2-22H;1-21H;1-20H;2-18,20H/b30-22-;28-21-;30-21+;;22-18-
• InChIKey: KVJSBXZHHJXSCR-ATBJXRMBSA-N
• XLogP: 46.16
• TPSA: 220.49 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2547.95
LogP ≤ 5	46.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The IUPAC name of (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione (CID 159251789) is (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione.

What is the SMILES notation for (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The canonical SMILES for (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione is O=C1/C(=C\c2ccc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)cc2)C(=O)c2sccc21.O=C1C(=Cc2ccc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)cn2)C(=O)c2nccnc21.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc3c4c(cccc24)-c2cc4c(ccc5ccccc54)cc2N3c2ccccc2)cc1.[C-]#[N+]/C(C#N)=C\c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2N3c2ccccc2)nc1.[C-]#[N+]/C(C#N)=C\c1ccc2cc(-c3ccc4c5c(cccc35)-c3ccccc3N4c3ccccc3)ccc2c1.

What is the InChIKey of (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

The InChIKey is KVJSBXZHHJXSCR-ATBJXRMBSA-N. The full InChI is InChI=1S/C40H23N3.C36H21N3.C36H21NO2S.C35H20N4O2.C31H18N4/c1-42-30(25-41)22-26-14-16-28(17-15-26)33-20-21-38-40-34(33)12-7-13-35(40)37-24-36-29(19-18-27-8-5-6-11-32(27)36)23-39(37)43(38)31-9-3-2-4-10-31;1-38-28(23-37)21-24-14-15-26-22-27(17-16-25(26)20-24)30-18-19-35-36-32(30)11-7-12-33(36)31-10-5-6-13-34(31)39(35)29-8-3-2-4-9-29;38-34-29-19-20-40-36(29)35(39)30(34)21-22-13-15-23(16-14-22)25-17-18-32-33-27(25)10-6-11-28(33)26-9-4-5-12-31(26)37(32)24-7-2-1-3-8-24;40-34-28(35(41)33-32(34)36-17-18-37-33)19-22-14-13-21(20-38-22)24-15-16-30-31-26(24)10-6-11-27(31)25-9-4-5-12-29(25)39(30)23-7-2-1-3-8-23;1-33-22(19-32)18-21-14-16-28(34-20-21)24-15-17-30-31-26(24)11-7-12-27(31)25-10-5-6-13-29(25)35(30)23-8-3-2-4-9-23/h2-24H;2-22H;1-21H;1-20H;2-18,20H/b30-22-;28-21-;30-21+;;22-18-.

What are the key properties of (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione?

(Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione has a molecular weight of 2547.95 g/mol, XLogP of 46.16, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione is sourced from PubChem (CID 159251789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).